N-(hydroxymethyl)-2-methylbenzamide

C9H11NO2 — CID 5234338

IUPACN-(hydroxymethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCO
InChIInChI=1S/C9H11NO2/c1-7-4-2-3-5-8(7)9(12)10-6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyVCXGBOJTZZDXNI-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.67
Rot. Bonds2

About N-(hydroxymethyl)-2-methylbenzamide

N-(hydroxymethyl)-2-methylbenzamide (PubChem CID 5234338) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is N-(hydroxymethyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-2-methylbenzamide
PubChem CID5234338
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC NameN-(hydroxymethyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCO
InChIInChI=1S/C9H11NO2/c1-7-4-2-3-5-8(7)9(12)10-6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChIKeyVCXGBOJTZZDXNI-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
2-methyl-N-(2-nitrosoethyl)benzamide
CID 143519689
N-(3-bromopropyl)-2-methylbenzamide
CID 43133629
N-ethylsulfonyl-2-methylbenzamide
CID 18331687
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
CID 110281401
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 18105664
N-hexyl-2-methylbenzamide
CID 3017102
N-(4-bromobutyl)-2-methylbenzamide
CID 106845968
N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2-methylbenzamide
CID 51165739

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-2-methylbenzamide?
The IUPAC name of N-(hydroxymethyl)-2-methylbenzamide (CID 5234338) is N-(hydroxymethyl)-2-methylbenzamide.
What is the SMILES notation for N-(hydroxymethyl)-2-methylbenzamide?
The canonical SMILES for N-(hydroxymethyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCO.
What is the InChIKey of N-(hydroxymethyl)-2-methylbenzamide?
The InChIKey is VCXGBOJTZZDXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7-4-2-3-5-8(7)9(12)10-6-11/h2-5,11H,6H2,1H3,(H,10,12).
What are the key properties of N-(hydroxymethyl)-2-methylbenzamide?
N-(hydroxymethyl)-2-methylbenzamide has a molecular weight of 165.19 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)-2-methylbenzamide is sourced from PubChem (CID 5234338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).